Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30851277 | 1.00 | S1PR1 (0.50) | S1PR1PPARGPPARAFFAR4NR1H4 | |
| SCHEMBL30851253 | 0.83 | SMN1; SMN2 (0.47) | S1PR1RXRASMN1; SMN2SLC13A5SLC13A2 | |
| SCHEMBL24967935 | 0.83 | SMN1; SMN2 (0.47) | S1PR1RXRASMN1; SMN2SLC13A5SLC13A2 | |
| SCHEMBL24968228 | 0.80 | AURKA (0.37) | S1PR1 | |
| SCHEMBL30851115 | 0.80 | AURKA (0.37) | S1PR1 | |
| SCHEMBL27233770 | 0.80 | TACR1 (0.36) | S1PR1HDAC3HDAC4HDAC6SLC13A5 | |
| SCHEMBL29165939 | 0.78 | PIK3R1 (0.36) | S1PR1 | |
| SCHEMBL24967942 | 0.78 | LMNA (0.39) | S1PR1SMN1; SMN2 | |
| SCHEMBL30851110 | 0.78 | LMNA (0.39) | S1PR1SMN1; SMN2 | |
| SCHEMBL24968405 | 0.77 | HTR2A (0.45) | S1PR1MAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117642393-A | Novel PARP7 inhibitor and application thereof | 上海齐鲁制药研究中心有限公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2023006013-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2023-02-02 | — | — | WO | disclosed |